Structure of PDB 6zxu Chain C Binding Site BS01

Receptor Information
>6zxu Chain C (length=692) Species: 391937 (Nitratireductor pacificus pht-3B) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QISMRLYSNRDRPNHLGPLALERLARVDDVVAQPARQPEDGFAASEDSLL
GDVEEYARLFTRFLDGPVAPLGDAIPDDPARRAENLKASAYFLDASMVGI
CRLDPDDPSHTHALVFAVQFGREPEAGEAGAEWIRGTNAARTDMRCAEIA
AILSGYVRWMGFPARGHFSGDAQVDLARLAVRAGLARVVDGVLVAPFLRR
GFRLGVVTTGYALAADRPLAPEGDLGETAPEVMLGIDGTRPGWEDAEEEK
RPLHMGRYPMETIRRVDEPTTLVVRQEIQRVAKRGDFFKRAEAGDLGEKA
KQEKKRFPMKHPLALGMQPLIQNMVPLQGTREKLAPTGKGGDLSDPGRNA
EAIKALGYYLGADFVGICRAEPWMYYASDEVEGKPIEAYHDYAVVMLIDQ
GYETMEGASGDDWISASQSMRAYMRGAEIAGVMAAHCRRMGYSARSHSNA
HSEVIHNPAILMAGLGEVSRIGDTLLNPFIGPRSKSIVFTTDLPMSVDRP
IDFGLQDFCNQCRKCARECPCNAISFGDKVMFNGYEIWKADVEKCTKYRV
TQMKGSACGRCMKMCPWNREDTVEGRRLAELSIKVPEARAAIIAMDDALQ
NGKRNLIKRWWFDLEVIDGVAGAPRMGTNERDLSPDRGDKIGANQKLAMY
PPRLQPPPGTTLDAVLPVDRSGGLAEYAAAETPAAARARLKS
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain6zxu Chain C Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6zxu Catabolic Reductive Dehalogenase Substrate Complex Structures Underpin Rational Repurposing of Substrate Scope.
Resolution1.73 Å
Binding residue
(original residue number in PDB)		R473 L479 F511 C512 C515 C518 C568 P569 W570
Binding residue
(residue number reindexed from 1)		R470 L476 F508 C509 C512 C515 C565 P566 W567
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:6zxu, PDBe:6zxu, PDBj:6zxu
PDBsum6zxu
PubMed32887524
UniProtK2MB66

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